1-[4-(4-nitrophenyl)phenyl]piperidine

C17H18N2O2 — CID 22899688

IUPAC1-[4-(4-nitrophenyl)phenyl]piperidine
SMILESO=[N+]([O-])c1ccc(-c2ccc(N3CCCCC3)cc2)cc1
InChIInChI=1S/C17H18N2O2/c20-19(21)17-10-6-15(7-11-17)14-4-8-16(9-5-14)18-12-2-1-3-13-18/h4-11H,1-3,12-13H2
InChIKeyDIYPVXVIZXKTNY-UHFFFAOYSA-N
MW282.34 g/mol
LogP4.25
Rot. Bonds3

About 1-[4-(4-nitrophenyl)phenyl]piperidine

1-[4-(4-nitrophenyl)phenyl]piperidine (PubChem CID 22899688) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-[4-(4-nitrophenyl)phenyl]piperidine.

Molecular Properties

Compound Name1-[4-(4-nitrophenyl)phenyl]piperidine
PubChem CID22899688
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name1-[4-(4-nitrophenyl)phenyl]piperidine
SMILESO=[N+]([O-])c1ccc(-c2ccc(N3CCCCC3)cc2)cc1
InChIInChI=1S/C17H18N2O2/c20-19(21)17-10-6-15(7-11-17)14-4-8-16(9-5-14)18-12-2-1-3-13-18/h4-11H,1-3,12-13H2
InChIKeyDIYPVXVIZXKTNY-UHFFFAOYSA-N
XLogP4.25
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[4-(azocan-1-yl)phenyl]-(4-nitrophenyl)diazene
CID 5152218
1-(4-methylphenyl)-4-(4-nitrophenyl)piperazine
CID 12668784
1-(4-nitrophenyl)-4-pyrrolidin-1-ylpyrazole
CID 176615836
1,1-dimethyl-4-(4-nitrophenyl)-1,4-diazepan-1-ium chloride
CID 69429847
1-methanidyl-4-(4-nitrophenyl)piperazin-1-ium
CID 20723203
1-(4-nitrophenyl)piperidin-4-amine
CID 12050747
5-(4-nitrophenyl)-5-azaspiro[2.5]octane
CID 133480921
1-(13-nitro-5-tricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaenyl)piperidine
CID 45277286
N-(4-nitrophenyl)-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine
CID 59088612
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
1-(4-nitrophenyl)-4-[(4-phenylphenyl)methyl]piperazin-4-ium
CID 7060405
ethane;methanol;4-(4-nitrophenyl)morpholine
CID 177318557

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-nitrophenyl)phenyl]piperidine?
The IUPAC name of 1-[4-(4-nitrophenyl)phenyl]piperidine (CID 22899688) is 1-[4-(4-nitrophenyl)phenyl]piperidine.
What is the SMILES notation for 1-[4-(4-nitrophenyl)phenyl]piperidine?
The canonical SMILES for 1-[4-(4-nitrophenyl)phenyl]piperidine is O=[N+]([O-])c1ccc(-c2ccc(N3CCCCC3)cc2)cc1.
What is the InChIKey of 1-[4-(4-nitrophenyl)phenyl]piperidine?
The InChIKey is DIYPVXVIZXKTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c20-19(21)17-10-6-15(7-11-17)14-4-8-16(9-5-14)18-12-2-1-3-13-18/h4-11H,1-3,12-13H2.
What are the key properties of 1-[4-(4-nitrophenyl)phenyl]piperidine?
1-[4-(4-nitrophenyl)phenyl]piperidine has a molecular weight of 282.34 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-nitrophenyl)phenyl]piperidine is sourced from PubChem (CID 22899688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).